SCHEMBL165592

SCHEMBL165592

CCCN1CCc2nc(OC3CCN(C4CCC4)CC3)sc2C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.45
RAD52 P43351 1/20 0.39
RECQL P46063 1/20 0.39
GRM5 P41594 4/20 0.38
DRD3 P35462 2/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL165665 0.97 HRH3 (0.43) HRH3RAD52RECQLGRM5DRD3
SCHEMBL176068 0.88 HRH3 (0.35) HRH3SMN1; SMN2
SCHEMBL175797 0.86 HRH3 (0.40) HRH3DRD3
SCHEMBL15738855 0.80 NPC1 (0.48) HRH3GRM5NPC1RAB9A
SCHEMBL15738751 0.79 NPC1 (0.46) HRH3GRM5NPC1RAB9A
SCHEMBL12474148 0.77 NPC1 (0.46) HRH3GRM5NPC1RAB9A
SCHEMBL166435 0.77 HRH3 (0.33) HRH3
SCHEMBL166290 0.77 NPC1 (0.43) HRH3GRM5NPC1RAB9A
SCHEMBL164398 0.76 HRH3 (0.34) HRH3
SCHEMBL17156957 0.75 HRH3 (0.42) HRH3GRM5DRD3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611444-A1 HETEROCYCLYL COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGANDS Suven Life Sciences Limited (IN) 2013-07-10 EP disclosed
WO-2012029070-A1 HETEROCYCLYL COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2012-03-08 WO disclosed